scholarly journals Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)

2018 ◽  
Vol 74 (6) ◽  
pp. 840-845 ◽  
Author(s):  
Ivan Trentin ◽  
Claudia Schindler ◽  
Carola Schulzke
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Carbonyl Oxygen ◽  
The Other ◽  
Torsion Angles ◽  
Cell Parameters ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The two title compounds, C8H6O2S6and C8H6O2S4Se2, are isotypic with very similar cell parameters. The complete molecules constitute the asymmetric units, despite being chemically perfectly symmetric. The most prominant differences in the metrical parameters arise from the distinct sizes of sulfur and selenium in the dichalcogenide bridges, with C—S—S—C and C—Se—Se—C torsion angles of 70.70 (5) and 68.88 (3)°, respectively. The crystal packing is determined by weak non-classical hydrogen-bonding interactions. One carbonyl oxygen but not the other participates in C—H...O interactions zigzagging along thebaxis, forming infinite chains. This is complemented by an intramolecular C—H...S interaction and further intermolecular C—H...S (C—H...Se) interactions, resulting in a three-dimensional network. The interactions involving the bridging chalcogenides form chains protruding along thecaxis.

Self-Assembly of Organo-Sulfur, Selenium and Tellurium Compounds via π-π-Stacking and Hydrogen Bonding Interactions

2002 ◽  
Vol 57 (10) ◽  
pp. 1115-1119 ◽  
Author(s):  
Berthold Kersting
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Network Structure ◽  
Self Assembly ◽  
Three Dimensional ◽  
Carbonyl Oxygen ◽  
Selenium Compounds ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Dimensional Network

AbstractThe crystal structures of 2-isopropyl-benzisothiazol-3-one-7-carboxylicacid isopropyl amide and of the corresponding selenium and tellurium derivatives have been determined. In contrast to the sulfur and selenium compounds, the tellurium derivative has an unprecedented three-dimensional network structure held together via π-π stacking and hydrogen bonding interactions. The cavities in the 3D molecular network are filled with guestwater molecules that are hydrogen bonded to carbonyl oxygen atoms.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

scholarly journals Crystal structures and the Hirshfeld surface analysis of (E)-4-nitro-N′-(o-chloro, o- and p-methylbenzylidene)benzenesulfonohydrazides

2018 ◽  
Vol 74 (12) ◽  
pp. 1710-1716
Author(s):  
Akshatha R. Salian ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Structural Parameters ◽  
Three Dimensional ◽  
Monoclinic Crystal ◽  
Torsion Angles ◽  
Axis Direction ◽  
Hydrogen Bonding Interactions ◽  
Torsional Angles

The crystal structures of (E)-N′-(2-chlorobenzylidene)-4-nitrobenzenesulfonohydrazide, C13H10ClN3O4S (I), (E)-N′-(2-methylbenzylidene)-4-nitrobenzenesulfonohydrazide, C14H13N3O4S (II), and (E)-N′-(4-methylbenzylidene)-4-nitrobenzenesulfonohydrazide monohydrate, C14H13N3O4S·H2O (III), have been synthesized, characterized and their crystal structures determined to study the effects of the nature and sites of substitutions on the structural parameters and the hydrogen-bonding interactions. All three compounds crystallize in the monoclinic crystal system, with space group P21 for (I) and P21/c for (II) and (III). Compound (III) crystallizes as a monohydrate. All three compounds adopt an E configuration around the C=N bond. The molecules are bent at the S atom with C—S—N—N torsion angles of −59.0 (3), 58.0 (2) and −70.2 (1)° in (I), (II) and (III), respectively. The sulfonohydrazide parts are also non-linear, as is evident from the S—N—N—C torsional angles of 159.3 (3), −164.2 (1) and 152.3 (1)° in (I), (II) and (III), respectively, while the hydrazide parts are almost planar with the N—N=C—C torsion angles being −179.1 (3)° in (I), 176.7 (2)° in (II) and 175.0 (2)° in (III). The 4-nitro-substituted phenylsulfonyl and 2/4-substituted benzylidene rings are inclined to each other by 81.1 (1)° in (I), 81.4 (1)° in (II) and 74.4 (1)° in (III). The compounds show differences in hydrogen-bonding interactions. In the crystal of (I), molecules are linked via N—H...O hydrogen bonds, forming C(4) chains along the a-axis direction that are interconnected by weak C—H...O hydrogen bonds, generating layers parallel to the ac plane. In the crystal of (II), the amino H atom shows bifurcated N—H...O(O) hydrogen bonding with both O atoms of the nitro group generating C(9) chains along the b-axis direction. The chains are linked by weak C—H...O hydrogen bonds, forming a three-dimensional framework. In the crystal of (III), molecules are linked by Ow—H...O, N—H...Ow and C—H...O hydrogen bonds, forming layers lying parallel to the bc plane. The fingerprint plots generated for the three compounds show that for (I) and (II) the O...H/H...O contacts make the largest contributions, while for the para-substituted compound (III), H...H contacts are the major contributors to the Hirshfeld surfaces.

scholarly journals Crystal structure of benzyl N′-[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]hydrazine-1-carbodithioate

2019 ◽  
Vol 75 (11) ◽  
pp. 1613-1619
Author(s):  
Nabeel Arif Tawfeeq ◽  
Huey Chong Kwong ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Thahira B. S. A. Ravoof
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Small Deviations ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Structural Details

In the title hydrazinecarbodithioate derivative, C27H26N2O2S2, the asymmetric unit is comprised of four molecules (Z = 8 and Z′ = 4). The 4-methoxyphenyl rings are slightly twisted away from their attached olefinic double bonds [torsion angles = 5.9 (4)–19.6 (4)°]. The azomethine double bond has an s-trans configuration relative to one of the C=C bonds and an s-cis configuration relative to the other [C=C—C= N = 147.4 (6)–175.7 (2) and 15.3 (3)–37.4 (7)°, respectively]. The torsion angles between the azomethine C=N double bond and hydrazine-1-carbodithioate moiety indicate only small deviations from planarity, with torsion angles ranging from 0.9 (3) to 6.9 (3)° and from 174.9 (3) to 179.7 (2)°, respectively. The benzyl ring and the methylenesulfanyl moiety are almost perpendicular to each other, as indicated by their torsion angles [range 93.7 (3)–114.6 (2)°]. In the crystal, molecules are linked by C—H...O, N—H...S and C—H...π(ring) hydrogen-bonding interactions into a three-dimensional network. Structural details of related benzyl hydrazine-1-carbodithioate are surveyed and compared with those of the title compound.

scholarly journals Crystal structure of thecisandtranspolymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ3N,O:O;κ3O:N,O-bis[fac-tricarbonylrhenium(I)]

2017 ◽  
Vol 73 (2) ◽  
pp. 310-313
Author(s):  
Maruthupandiyan Priyatharsini ◽  
Bhaskaran Shankar ◽  
Malaichamy Sathiyendiran ◽  
Navaneethakrishnan Srinivasan ◽  
Rajaputi Venkatraman Krishnakumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dinuclear Complex ◽  
Carbonyl Groups ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Phenolate Ligands

The title dinuclear complex, [Re2(C13H8NOS)2(CO)6], crystallizes in two polymorphs where the 2-(1,3-benzothiazol-2-yl)phenolate ligands and two carbonyl groups aretrans- (I) orcis-arranged (II) with respect to the [Re2O2(CO)4] core. PolymorphsIandIIexhibit a crystallographically imposed centre of symmetry and a twofold rotation axis, respectively. The structures may be described as being formed by two octahedrally distorted metal-coordinating units fused through μ-oxido bridges, leading to edge-sharing dimers. The crystal packing is governed by C—H...O hydrogen-bonding interactions, forming chains parallel to thecaxis inIand a three-dimensional network inII.

scholarly journals Crystal structure of bis(benzylamine-κN)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ4N]iron(II)n-hexane monosolvate

2016 ◽  
Vol 72 (1) ◽  
pp. 102-105
Author(s):  
Selma Dhifaoui ◽  
Wafa Harhouri ◽  
Anna Bujacz ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Complex Molecule ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Porphyrin Ligand ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Spin Complex

In the title compound, [FeII(C44H24Cl4N4)(C6H5CH2NH2)2]·C6H14or [FeII(TPP-Cl)(BzNH2)2]·n-hexane [where TPP-Cl and BzNH2are 5,10,15,20-tetrakis(4-chlorophenyl)porphyrinate and benzylamine ligands, respectively], the FeIIcation lies on an inversion centre and is octahedrally coordinated by the four pyrrole N atoms of the porphyrin ligand in the equatorial plane and by two amine N atoms of the benzylamine ligand in the axial sites. The crystal structure also contains one inversion-symmetricn-hexane solvent molecule per complex molecule. The average Fe—Npyrrolebond length [1.994 (3) Å] indicates a low-spin complex. The crystal packing is sustained by N—H...Cl and C—H...Cl hydrogen-bonding interactions and by C—H...π intermolecular interactions, leading to a three-dimensional network structure.

Tetraamminebis(4-nitrobenzoato-κO)copper(II)

2006 ◽  
Vol 62 (5) ◽  
pp. m952-m953 ◽  
Author(s):  
Yang Qu ◽  
Jian-Jun Peng
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Complex Pattern ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Cu Complexes

In the title compound, [Cu(C7H4NO4)2(NH3)4], the Cu atom is six-coordinated by four ammine N and two 4-nitrobenzoate O atoms. Of the two nitrobenzoate ligands, one gives weaker coordination than the other. These Cu complexes are connected through a complex pattern of hydrogen-bonding interactions, resulting in a three-dimensional network.

Crystal structures of [18]aneN6H2K[Co(CN)6].4H2O, [16]aneN4H2K[Co(CN)6] and [12]aneN4H3[Co(CN)6].2H2O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes

1999 ◽  
Vol 55 (3) ◽  
pp. 389-395 ◽  
Author(s):  
Ping Zhou ◽  
Feng Xue ◽  
Steve C. F. Au-Yeung ◽  
Xiao-ping Xu
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Potassium Dihydrogen ◽  
Coulombic Interactions ◽  
Self Assembling ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Zeolite Type ◽  
A Chain

The crystal structures of [18]aneN6H2K[Co(CN)6].4H2O [potassium dihydrogen hexacyanocobaltate–1,4,7,10,13,16-hexaazacyclooctadecane–water (1/1/4)], [16]aneN4H2K[Co(CN)6] [potassium dihydrogen hexacyanocobaltate–1,5,9,13-tetraazacyclohexadecane (1/1)] and [12]aneN4H3[Co(CN)6].2H2O [trihydrogen hexacyanocobaltate–1,4,7,10-tetraazacyclododecane–water (1/1/2)] have been determined. For these supercomplexes, the [Co(CN)6]3− binding with protonated polyammonium macrocycles is dominant in the binding competition between K+ and [Co(CN)6]3−. It is suggested that the binding of [Co(CN)6]3− with protonated polyammonium macrocycles is independent of the cavity size of the macrocycle, whereas that of K+ is size-match selective. For [18]aneN6H2K[Co(CN)6].4H2O, the formation of a two-dimensional lamella may be derived from a chain-like arrangement of four-, five- and eight-membered rings in the network through the mutual balance between electrostatic and hydrogen-bonding interactions. [16]aneN4H2K[Co(CN)6] is a novel example demonstrating the anchoring of cobalticyanide through hydrogen-bonding interactions inside a zeolite-type cavity in the three-dimensional network formed by K+ and the macrocycles through Coulombic interactions. Also, a three-dimensional network was formed mainly through hydrogen-bonding interactions between [Co(CN)6]3−, protonated macrocycles and water molecules in [12]aneN4H3[Co(CN)6].2H2O.

scholarly journals Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κN)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κN)manganate(II)

2018 ◽  
Vol 74 (1) ◽  
pp. 15-20
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Negative Charge ◽  
Three Dimensional ◽  
Anionic Complex ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Anionic Complexes ◽  
Pyridinium Cations

The crystal structures of the title salts, (C7H11N2)2[Mn(NCS)4] (1) and (C7H11N2)3[Mn(NCS)5] (2), consist of manganese(II) cations that are tetrahedrally (1) or trigonal–bipyramidally (2) coordinated to four or five terminal N-bonded thiocyanate ligands, respectively, into discrete anionic complexes. The negative charge is compensated by two (1) or three (2) 4-(dimethylamino)pyridinium cations, which are protonated at the pyridine N atom. The asymmetric unit of compound1consists of one anionic complex and two 4-(dimethylamino)pyridinium cations, whereas that of compound2consists of two anionic complexes and six 4-(dimethylamino)pyridinium cations, all of them located in general positions. These complexes are linked by N—H...S, C—H...S and C—H...N hydrogen-bonding interactions between the 4-(dimethylamino)pyridinium cations and the thiocyanate ligands into three-dimensional network structures.

scholarly journals Bis(nitrilotriacetamide-κ4 N,O,O′,O′′)silver(I) nitrate

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Min Ren ◽  
Ming Yue ◽  
Jingwen Ran
Keyword(s):  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the centrosymmetric cation of the title compound, [Ag(C6H12N4O3)2]NO3, the AgI ion, lying on a threefold rotoinversion axis, is coordinated by two N atoms and six O atoms from two nitrilotriacetamide ligands, forming a distorted dodecahedral environment. In the crystal, cations and anions are linked through N—H...O hydrogen-bonding interactions, leading to a three-dimensional network structure.

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